2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol

C9H13NO3 — CID 19707525

IUPAC2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol
SMILESOCC(CO)(CO)c1ccncc1
InChIInChI=1S/C9H13NO3/c11-5-9(6-12,7-13)8-1-3-10-4-2-8/h1-4,11-13H,5-7H2
InChIKeyHFVQSYMOYJUHHJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.70
Rot. Bonds4

About 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol

2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol (PubChem CID 19707525) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol
PubChem CID19707525
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol
SMILESOCC(CO)(CO)c1ccncc1
InChIInChI=1S/C9H13NO3/c11-5-9(6-12,7-13)8-1-3-10-4-2-8/h1-4,11-13H,5-7H2
InChIKeyHFVQSYMOYJUHHJ-UHFFFAOYSA-N
XLogP-0.70
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol (CID 19707525) is 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol is OCC(CO)(CO)c1ccncc1.
What is the InChIKey of 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol?
The InChIKey is HFVQSYMOYJUHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-5-9(6-12,7-13)8-1-3-10-4-2-8/h1-4,11-13H,5-7H2.
What are the key properties of 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol?
2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol has a molecular weight of 183.21 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-pyridin-4-ylpropane-1,3-diol is sourced from PubChem (CID 19707525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).